Mrv1533007131513482D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  RAD  1   2   2
M  END
> <DATABASE_ID>
CHEM026338

> <DATABASE_NAME>
chemdb

> <SMILES>
C[O]

> <INCHI_IDENTIFIER>
InChI=1S/CH3O/c1-2/h1H3

> <INCHI_KEY>
GRVDJDISBSALJP-UHFFFAOYSA-N

> <FORMULA>
CH3O

> <MOLECULAR_WEIGHT>
31.034

> <EXACT_MASS>
31.018389717

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
3.063145763329802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyloxidanyl

> <ALOGPS_LOGP>
-1.38

> <JCHEM_LOGP>
-0.07950000000000013

> <ALOGPS_LOGS>
1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.8116

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.19e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methoxy

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methoxyl

$$$$